2-(methylsulfanyl)-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(methylsulfanyl)-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(methylsulfanyl)-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2188-1895 |
| Compound Name: | 2-(methylsulfanyl)-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 286.39 |
| Molecular Formula: | C16 H18 N2 O S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(NC(=C1C#N)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3571 |
| logD: | 3.2124 |
| logSw: | -3.5391 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.187 |
| InChI Key: | PBGFJPICRUKWOU-CYBMUJFWSA-N |